(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide

C19H21ClFNOS — CID 30394251

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C19H21ClFNOS/c1-2-18(24-17-11-7-15(20)8-12-17)19(23)22-13-3-4-14-5-9-16(21)10-6-14/h5-12,18H,2-4,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyMWHUNKXORCDLCP-GOSISDBHSA-N
MW365.90 g/mol
LogP5.10
Rot. Bonds8

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide (PubChem CID 30394251) has the molecular formula C19H21ClFNOS and a molecular weight of 365.90 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
PubChem CID30394251
Molecular FormulaC19H21ClFNOS
Molecular Weight365.90 g/mol
Exact Mass365.10
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C19H21ClFNOS/c1-2-18(24-17-11-7-15(20)8-12-17)19(23)22-13-3-4-14-5-9-16(21)10-6-14/h5-12,18H,2-4,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyMWHUNKXORCDLCP-GOSISDBHSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
2-(4-chlorophenyl)sulfanyl-N-[3-(4-ethoxyphenyl)propyl]butanamide
CID 132659536
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 28631806
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 99952119
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 28635758
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
2-(4-chlorophenyl)sulfanyl-N-[[4-(diethylamino)phenyl]methyl]butanamide
CID 133199616
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide (CID 30394251) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide?
The InChIKey is MWHUNKXORCDLCP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClFNOS/c1-2-18(24-17-11-7-15(20)8-12-17)19(23)22-13-3-4-14-5-9-16(21)10-6-14/h5-12,18H,2-4,13H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide has a molecular weight of 365.90 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide is sourced from PubChem (CID 30394251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).